N-[[1-(aminomethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C11H16N6 — CID 113313719

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCC3(CN)CC3)ncnc21
InChIInChI=1S/C11H16N6/c1-17-10-8(4-16-17)9(14-7-15-10)13-6-11(5-12)2-3-11/h4,7H,2-3,5-6,12H2,1H3,(H,13,14,15)
InChIKeyLPFXKWRJYUIYPT-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.51
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 113313719) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID113313719
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCC3(CN)CC3)ncnc21
InChIInChI=1S/C11H16N6/c1-17-10-8(4-16-17)9(14-7-15-10)13-6-11(5-12)2-3-11/h4,7H,2-3,5-6,12H2,1H3,(H,13,14,15)
InChIKeyLPFXKWRJYUIYPT-UHFFFAOYSA-N
XLogP0.51
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 103970405
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 105419063
1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312142
4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 78929377
4,4-dimethyl-1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 138032046
N-[1-(aminomethyl)-4-methylcyclohexyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63759090
2-methyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63194332
2,2-diethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 106251404
N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 79099379
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56818906
2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730898
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 60710985

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 113313719) is N-[[1-(aminomethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NCC3(CN)CC3)ncnc21.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LPFXKWRJYUIYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-17-10-8(4-16-17)9(14-7-15-10)13-6-11(5-12)2-3-11/h4,7H,2-3,5-6,12H2,1H3,(H,13,14,15).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 232.29 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 113313719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).